Structure of PDB 6kpp Chain D Binding Site BS02

Receptor Information

>6kpp Chain D (length=418) Species: 9823 (Sus scrofa)

MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVY
YNENKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAK
GHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLIS
KIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYCID
NEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKL
AVNMVPFPRLHFFMPGFAPLLTVPELTQQMFDSKNMMAACDPRHGRYLTV
AAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKM
SATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAES
NMNDLVSEYQQYQDATAD

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6kpp Chain D Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6kpp Unraveling the molecular mechanism of BNC105, a phase II clinical trial vascular disrupting agent, provides insights into drug design.
• Resolution: 2.74524 Å
• Binding residue (original residue number in PDB): Q11 N99
• Binding residue (residue number reindexed from 1): Q11 N96
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003924 GTPase activity
• GO:0005200 structural constituent of cytoskeleton
• GO:0005515 protein binding
• GO:0005525 GTP binding
• GO:0046872 metal ion binding

Biological Process

• GO:0000226 microtubule cytoskeleton organization
• GO:0000278 mitotic cell cycle
• GO:0007017 microtubule-based process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005856 cytoskeleton
• GO:0005874 microtubule

External links

• PDB: RCSB:6kpp, PDBe:6kpp, PDBj:6kpp
• PDBsum: 6kpp
• PubMed: 32085900
• UniProt: P02554|TBB_PIG Tubulin beta chain